N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

C18H19N5O — CID 109111701

IUPACN-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc3cccnc23)nn1
InChIInChI=1S/C18H19N5O/c1-3-12(2)20-18(24)15-9-10-16(23-22-15)21-14-8-4-6-13-7-5-11-19-17(13)14/h4-12H,3H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyLARSRVUIDWBTQP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.30
Rot. Bonds5

About N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (PubChem CID 109111701) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
PubChem CID109111701
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc3cccnc23)nn1
InChIInChI=1S/C18H19N5O/c1-3-12(2)20-18(24)15-9-10-16(23-22-15)21-14-8-4-6-13-7-5-11-19-17(13)14/h4-12H,3H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyLARSRVUIDWBTQP-UHFFFAOYSA-N
XLogP3.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109115481
N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129615
N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109128991
6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109127790
methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109129923
N-propan-2-yl-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109271325
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
CID 109111674
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050401

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (CID 109111701) is N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is CCC(C)NC(=O)c1ccc(Nc2cccc3cccnc23)nn1.
What is the InChIKey of N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The InChIKey is LARSRVUIDWBTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-12(2)20-18(24)15-9-10-16(23-22-15)21-14-8-4-6-13-7-5-11-19-17(13)14/h4-12H,3H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).